SCHEMBL7408199

SCHEMBL7408199

N=C(N)c1ccc2[nH]c(Cc3nc4c(OCCN5C(=O)c6ccccc6C5=O)cc(F)cc4[nH]3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.55
F2 P00734 3/20 0.44
F7 P08709 2/20 0.44
TPSAB1 Q15661 3/20 0.41
PRSS1 P07477 2/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7400563 0.87 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7516744 0.83 F10 (0.58) F10F2F7TPSAB1PRSS1
SCHEMBL7402644 0.83 F10 (0.54) F10F2F7TPSAB1PRSS1
SCHEMBL7407783 0.83 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7405267 0.83 F10 (0.53) F10F2F7TPSAB1PRSS1
SCHEMBL7409477 0.82 F10 (0.68) F10F2F7TPSAB1PRSS1
SCHEMBL7407756 0.81 F10 (0.57) F10F2F7TPSAB1PRSS1
SCHEMBL7403742 0.81 F10 (0.64) F10F2F7TPSAB1PRSS1
SCHEMBL7404586 0.80 F10 (0.65) F10F2F7TPSAB1PRSS1
SCHEMBL7406422 0.79 F10 (0.60) F10F2F7TPSAB1PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed